Molecule

ID:65083

General Information
Structure
MolImage
Molecular Formula
C₈H₁₄O
Molecular Mass
126.19616
Exact Mass
126.10446507
Charge
0
InChI
InChI=1S/C8H14O/c1-2-3-4-5-6-7-8-9/h1,9H,3-8H2
InChIKey
ATCNYMVVGBLQMQ-UHFFFAOYSA-N
Canonic Smiles
OCCCCCCC#C
Isomeric Smiles
C(CCCCCO)C#C
Calculated Properties
JChem
Acid pKa
16.843943
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
1.7764418
LogD (pH = 7.4)
1.7764418
Log P
1.7764418
Molar Refractivity
39.0005
Polarizability
14.989166
Polar Surface Area
20.23
Rotatable Bonds
5
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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